| CAS Number | 1082576-05-3 |
| Catalog Number | AG019WUR |
| Chemical Name | 2-[(4-methoxyphenoxy)methyl]-1,3-thiazole-4-carbaldehyde |
| IUPAC Name | 2-[(4-methoxyphenoxy)methyl]-1,3-thiazole-4-carbaldehyde |
| InChI | InChI=1S/C12H11NO3S/c1-15-10-2-4-11(5-3-10)16-7-12-13-9(6-14)8-17-12/h2-6,8H,7H2,1H3 |
| InChI Key | FXJNQQGULPMGRN-UHFFFAOYSA-N |
| MDL Number | MFCD11587924 |
| Molecular Formula | C12H11NO3S |
| Molecular Weight | 249.2856 |
| SMILES | COC1=CC=C(OCC2SC=C(C=O)N=2)C=C1 |
| Synonyms | 2-(4-methoxyphenoxymethyl)-1,3-thiazole-4-carbaldehyde,
1082576-05-3,
AC1Q4DQ8,
CTK7A5207,
ZINC19723146,
AKOS022220046,
MCULE-6318993748,
NE19093,
EN300-53206,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.284g/mol |
| Monoisotopic Mass | 249.046g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number